1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol

C19H29FN2O2 — CID 70468374

IUPAC1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol
SMILESCCC(O)(CC(N)C1(c2ccc(F)cc2)CCC1)N1CCOCC1
InChIInChI=1S/C19H29FN2O2/c1-2-19(23,22-10-12-24-13-11-22)14-17(21)18(8-3-9-18)15-4-6-16(20)7-5-15/h4-7,17,23H,2-3,8-14,21H2,1H3
InChIKeyNPTBQMIXJWDJNM-UHFFFAOYSA-N
MW336.45 g/mol
LogP2.40
Rot. Bonds6

About 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol

1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol (PubChem CID 70468374) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol.

Molecular Properties

Compound Name1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol
PubChem CID70468374
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol
SMILESCCC(O)(CC(N)C1(c2ccc(F)cc2)CCC1)N1CCOCC1
InChIInChI=1S/C19H29FN2O2/c1-2-19(23,22-10-12-24-13-11-22)14-17(21)18(8-3-9-18)15-4-6-16(20)7-5-15/h4-7,17,23H,2-3,8-14,21H2,1H3
InChIKeyNPTBQMIXJWDJNM-UHFFFAOYSA-N
XLogP2.40
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol?
The IUPAC name of 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol (CID 70468374) is 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol.
What is the SMILES notation for 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol?
The canonical SMILES for 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol is CCC(O)(CC(N)C1(c2ccc(F)cc2)CCC1)N1CCOCC1.
What is the InChIKey of 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol?
The InChIKey is NPTBQMIXJWDJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-2-19(23,22-10-12-24-13-11-22)14-17(21)18(8-3-9-18)15-4-6-16(20)7-5-15/h4-7,17,23H,2-3,8-14,21H2,1H3.
What are the key properties of 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol?
1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol has a molecular weight of 336.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol is sourced from PubChem (CID 70468374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).